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20022009
most citedTime-dependent density functional theory: Past, present, and future

956 citations

Showing cond-mat.mtrl-sciShow all

11 papers · 1 filter

cond-mat.mtrl-sci20098 cited

Overhauser's spin-density wave in exact-exchange spin density functional theory

S. Kurth, F. G. Eich

The spin density wave (SDW) state of the uniform electron gas is investigated in the exact exchange approximation of noncollinear spin density functional theory (DFT). Unlike in Ha…

cond-mat.mtrl-sci20093 cited

Indication of a non-magnetic surface layer on a magnetic single crystal

Daniel Wegner, Gunter Kaindl

The structural and electronic properties of the surfaces of Sm(0001) and Eu/Gd(0001) were studied by scanning tunneling microscopy and spectroscopy at temperatures between 10 and 1…

cond-mat.mtrl-sci2008

Dependence of response functions and orbital functionals on occupation numbers

S. Kurth, C. R. Proetto, K. Capelle

Explicitly orbital-dependent approximations to the exchange-correlation energy functional of density functional theory typically not only depend on the single-particle Kohn-Sham or…

cond-mat.mtrl-sci2007187 cited

Long-range repulsive interaction between TTF molecules on a metal surface induced by charge transfer

I. Fernandez-Torrente, S. Monturet, K. J. Franke +3

The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing e…

cond-mat.mtrl-sci200716 cited

Huge magneto-crystalline anisotropy of x-ray linear dichroism observed on Co/FeMn bilayers

W. Kuch, F. Offi, L. I. Chelaru +5

We present an x-ray spectromicroscopic investigation of single-crystalline magnetic FeMn/Co bilayers on Cu(001), using X-ray magnetic circular (XMCD) and linear (XMLD) dichroism at…

cond-mat.mtrl-sci2007

Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem

S. Pittalis, S. Kurth, S. Sharma +1

Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals…